BDBM472783 US10829493, Example 9

SMILES C[C@H](O)Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1

InChI Key InChIKey=OPOILSUUPUWPEK-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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